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Home > Nitro Compounds > 89807-64-7
89807-64-7 | 2-Propen-1-one, 1-(4-nitrophenyl)-3-(3-phenoxyphenyl)-
CAS No: 89807-64-7 Catalog No: AG003Y6M MDL No:
Product Description
Catalog Number:
AG003Y6M
Chemical Name:
2-Propen-1-one, 1-(4-nitrophenyl)-3-(3-phenoxyphenyl)-
CAS Number:
89807-64-7
Molecular Formula:
C21H15NO4
Molecular Weight:
345.3481
IUPAC Name:
1-(4-nitrophenyl)-3-(3-phenoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C21H15NO4/c23-21(17-10-12-18(13-11-17)22(24)25)14-9-16-5-4-8-20(15-16)26-19-6-2-1-3-7-19/h1-15H
InChI Key:
OCVKZUYZVIKCCA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C=Cc1cccc(c1)Oc1ccccc1
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.354g/mol
Monoisotopic Mass:
345.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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